Chlorine in PDB 7oqa: Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162

All present enzymatic activity of Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162:
5.2.1.8;

The structure of Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162, PDB code: 7oqa was solved by F.Centorrino, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.48 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.746, 111.499, 62.376, 90, 90, 90
R / Rfree (%)	16.5 / 21.3

The binding sites of Chlorine atom in the Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162 (pdb code 7oqa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162, PDB code: 7oqa:

Chlorine binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex of 14-3-3 Sigma, PIN1PS72 Phosphopeptide, and WQ162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:12.4 occ:1.00 HZ3 A:LYS9 2.2 9.6 1.0 HD3 A:LYS9 3.0 7.0 1.0 NZ A:LYS9 3.1 8.0 1.0 HZ2 A:LYS9 3.5 9.6 1.0 HZ1 A:LYS9 3.6 9.6 1.0 HZ A:PHE25 3.6 9.5 1.0 HE2 A:LYS9 3.7 7.5 1.0 CE A:LYS9 3.7 6.3 1.0 HE1 A:MET1 3.7 16.8 1.0 CD A:LYS9 3.7 5.8 1.0 HE2 A:PHE25 4.0 7.2 1.0 HD2 A:LYS9 4.1 7.0 1.0 CZ A:PHE25 4.3 7.9 1.0 HE2 A:MET1 4.3 16.8 1.0 CE A:MET1 4.5 14.0 1.0 CE2 A:PHE25 4.5 6.1 1.0 HE3 A:LYS9 4.7 7.5 1.0 O A:HOH699 4.8 28.6 1.0 HG2 A:LYS9 5.0 6.1 1.0 O A:HOH613 5.0 25.3 1.0

F.Centorrino, Q.Wu, P.Cossar, L.Brunsveld, C.Ottmann. A Crystallography-Based Study of Fragment Extensions Into the 14-3-3 Binding Groove To Be Published.